Receptor
PDB id Resolution Class Description Source Keywords
2V6G 2.3 Å EC: 1.-.-.- STRUCTURE OF PROGESTERONE 5BETA-REDUCTASE FROM DIGITALIS LANATA IN COMPLEX WITH NADP DIGITALIS LANATA TYROSINE-DEPENDENT OXIDOREDUCTASE OXIDOREDUCTASE SDR REDUCTASE CARDENOLIDES CARDIAC GLYCOSIDES
Ref.: THE CRYSTAL STRUCTURE OF PROGESTERONE 5{BETA}-REDUCTASE FROM DIGITALIS LANATA DEFINES A NOVEL CLASS OF SHORT CHAIN DEHYDROGENASES/REDUCTASES. J.BIOL.CHEM. V. 283 17260 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:1391;
Invalid;
none;
submit data
35.453 Cl [Cl-]
NA A:1392;
Invalid;
none;
submit data
22.99 Na [Na+]
NAP A:1390;
Valid;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2V6G 2.3 Å EC: 1.-.-.- STRUCTURE OF PROGESTERONE 5BETA-REDUCTASE FROM DIGITALIS LANATA IN COMPLEX WITH NADP DIGITALIS LANATA TYROSINE-DEPENDENT OXIDOREDUCTASE OXIDOREDUCTASE SDR REDUCTASE CARDENOLIDES CARDIAC GLYCOSIDES
Ref.: THE CRYSTAL STRUCTURE OF PROGESTERONE 5{BETA}-REDUCTASE FROM DIGITALIS LANATA DEFINES A NOVEL CLASS OF SHORT CHAIN DEHYDROGENASES/REDUCTASES. J.BIOL.CHEM. V. 283 17260 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 2V6G - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2V6G - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 5DCU - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 5DBF - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
4 5DF1 Ki = 4 uM 58X C10 H16 O2 CC(=CCC/C(....
5 5DBG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 5DBI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 5DCY - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2V6G - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 5DCU - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 5DBF - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
4 5DF1 Ki = 4 uM 58X C10 H16 O2 CC(=CCC/C(....
5 5DBG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 5DBI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 5DCY - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAP; Similar ligands found: 127
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NAD IBO 0.688 0.921053
10 NHD 0.68254 0.958904
11 NJP 0.661417 0.972973
12 NAJ PYZ 0.659091 0.898734
13 NFD 0.658915 0.934211
14 DND 0.619048 0.959459
15 NXX 0.619048 0.959459
16 ZID 0.605839 0.972603
17 NAQ 0.59854 0.922078
18 ATR 0.59292 0.917808
19 NAE 0.591241 0.946667
20 NDE 0.58042 0.986301
21 A22 0.571429 0.958904
22 AMP NAD 0.571429 0.933333
23 NAJ 0.567164 0.986111
24 A2R 0.563025 0.932432
25 NDC 0.561644 0.922078
26 NA7 0.552846 0.907895
27 ODP 0.551471 0.935065
28 A2P 0.539823 0.930556
29 8ID 0.537313 0.910256
30 NAD BBN 0.525974 0.865854
31 NPW 0.525547 0.8875
32 CNA 0.521739 0.959459
33 NZQ 0.521739 0.910256
34 NAD CJ3 0.519231 0.835294
35 NDP 0.514493 0.922078
36 PO4 PO4 A A A A PO4 0.503937 0.930556
37 DG1 0.503401 0.922078
38 1DG 0.503401 0.922078
39 NAD TDB 0.5 0.696078
40 TXP 0.5 0.922078
41 NMN AMP PO4 0.492958 0.921053
42 XNP 0.492958 0.875
43 25L 0.492308 0.958904
44 25A 0.492063 0.972222
45 NAD NDT 0.490909 0.747368
46 NMN 0.486726 0.888889
47 NGD 0.485714 0.935065
48 2AM 0.477876 0.891892
49 ADP 0.458333 0.945205
50 PAP 0.451613 0.931507
51 ADP MG 0.45082 0.906667
52 BEF ADP 0.447154 0.883117
53 ADP BEF 0.447154 0.883117
54 A2D 0.445378 0.945205
55 AN2 0.442623 0.932432
56 ADP PO3 0.44 0.944444
57 SAP 0.44 0.896104
58 AGS 0.44 0.896104
59 M33 0.439024 0.906667
60 AR6 AR6 0.438849 0.945205
61 BA3 0.438017 0.945205
62 ATP MG 0.436508 0.906667
63 ADP BMA 0.43609 0.92
64 OAD 0.43609 0.92
65 ATP 0.435484 0.945205
66 OOB 0.435115 0.958904
67 B4P 0.434426 0.945205
68 AP5 0.434426 0.945205
69 GAP 0.433071 0.92
70 0WD 0.432432 0.922078
71 5FA 0.432 0.945205
72 2A5 0.432 0.87013
73 AQP 0.432 0.945205
74 00A 0.428571 0.909091
75 CA0 0.427419 0.92
76 ALF ADP 0.426357 0.871795
77 ADP ALF 0.426357 0.871795
78 ACP 0.424 0.92
79 NAJ PZO 0.423841 0.897436
80 9SN 0.423358 0.897436
81 VO4 ADP 0.423077 0.932432
82 ANP MG 0.423077 0.896104
83 ADP VO4 0.423077 0.932432
84 WAQ 0.422222 0.884615
85 ACQ 0.421875 0.92
86 V3L 0.421875 0.945205
87 ADQ 0.421053 0.92
88 AR6 0.420635 0.918919
89 APR 0.420635 0.918919
90 ATP A A A 0.42029 0.958333
91 CO7 0.419753 0.786517
92 1ZZ 0.419118 0.841463
93 3OD 0.419118 0.92
94 DLL 0.41791 0.958904
95 AD9 0.417323 0.92
96 NAX 0.416667 0.875
97 OVE 0.416667 0.857143
98 MYR AMP 0.416058 0.841463
99 AV2 0.415385 0.868421
100 A3P 0.414634 0.944444
101 NNR 0.414414 0.72973
102 ALF ADP 3PG 0.413793 0.8625
103 OMR 0.413793 0.831325
104 LA8 ALF 3PG 0.413793 0.8625
105 ANP 0.410853 0.92
106 A1R 0.410448 0.860759
107 ABM 0.409836 0.893333
108 AMP 0.408333 0.944444
109 A 0.408333 0.944444
110 SON 0.408 0.933333
111 PPS 0.407692 0.829268
112 5AL 0.407692 0.932432
113 TYR AMP 0.407143 0.933333
114 NAI 0.406897 0.909091
115 7D3 0.406504 0.857143
116 DAL AMP 0.406015 0.932432
117 ADX 0.404762 0.829268
118 ATF 0.40458 0.907895
119 3UK 0.404412 0.945946
120 AMP DBH 0.404255 0.894737
121 139 0.402685 0.875
122 AMP MG 0.401639 0.893333
123 50T 0.401575 0.906667
124 SRP 0.401515 0.907895
125 A A 0.40146 0.972222
126 FA5 0.4 0.933333
127 3AM 0.4 0.90411
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2V6G; Ligand: NAP; Similar sites found: 593
This union binding pocket(no: 1) in the query (biounit: 2v6g.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2R4J 13P 0.003449 0.41907 1.0989
2 4USR FAD 0.0009635 0.42209 1.10803
3 2GLX NDP 0.001487 0.42973 1.20482
4 2PV7 NAD 0.0007814 0.43152 1.34228
5 2NVK NAP 0.03015 0.41169 1.37363
6 3TLJ SAH 0.006248 0.4068 1.37363
7 1X7D NAD 0.0007361 0.4295 1.42857
8 1NYT NAP 0.005193 0.40455 1.47601
9 4L8V NAP 0.002196 0.4028 1.48368
10 3BAZ NAP 0.0003994 0.44968 1.5015
11 3VYW SAM 0.003409 0.42427 1.62338
12 1V59 NAD 0.001027 0.47324 1.64835
13 3UCL NAP 0.002387 0.43567 1.64835
14 3UCL CYH 0.002227 0.43492 1.64835
15 3UCL FAD 0.002227 0.43492 1.64835
16 1D1T NAD 0.0008981 0.41603 1.64835
17 3L9W GSH 0.002802 0.40716 1.64835
18 5LD5 NAD 0.00003998 0.49893 1.67598
19 2DFV NAD 0.000536 0.43792 1.72911
20 3V1Y NAD 0.00003341 0.4891 1.78042
21 4KOA NDP 0.0009174 0.46139 1.8018
22 2HK9 ATR 0.00137 0.47215 1.81818
23 1GAD NAD 0.00006486 0.44883 1.81818
24 2HK9 NAP 0.001594 0.42233 1.81818
25 1ZBQ NAD 0.00006913 0.45734 1.83486
26 3DMH SAM 0.004812 0.41773 1.83727
27 2PXX SAH 0.001346 0.44564 1.86047
28 1OMO NAD 0.0009646 0.43748 1.86335
29 4HXY NDP 0.0000001504 0.56094 1.92308
30 4U7W NDP 0.0000008955 0.51935 1.92308
31 1LVL NAD 0.0003673 0.46646 1.92308
32 5G3U FDA 0.001204 0.42456 1.92308
33 1Q9I TEO 0.004711 0.41669 1.92308
34 5G3U ITW 0.003143 0.4146 1.92308
35 2XVF FAD 0.0003846 0.41081 1.92308
36 5BUK FAD 0.006923 0.40114 1.92308
37 4USQ FAD 0.001329 0.41813 1.93906
38 1H2B NAJ 0.0002354 0.43219 1.94986
39 1EBF NAD 0.0002423 0.42163 1.95531
40 1PL6 NAD 0.0001823 0.47972 1.96629
41 1PL6 572 0.001331 0.40982 1.96629
42 3LST SAH 0.005938 0.4314 2.01149
43 1R37 NAD 0.001005 0.42271 2.01729
44 1ZH8 NAP 0.001038 0.40892 2.05882
45 4RDH AMP 0.0004207 0.48191 2.08333
46 4X1Z FUC GAL NDG 0.009232 0.43051 2.10843
47 3LZW FAD 0.0005043 0.40336 2.10843
48 4FC7 COA 0.0000002869 0.56982 2.16606
49 4FC7 NAP 0.0000002869 0.48704 2.16606
50 1WMA AB3 0.00009264 0.41181 2.17391
51 1WMA NDP 0.00009264 0.41181 2.17391
52 1Z45 NAD 0.000006916 0.5032 2.1978
53 2D2I NAP 0.000358 0.45522 2.1978
54 1RSG FAD 0.0004779 0.44452 2.1978
55 3LAD FAD 0.000993 0.43217 2.1978
56 1QO8 FAD 0.001257 0.42818 2.1978
57 1YKJ FAD 0.00451 0.42098 2.1978
58 1YKJ PHB 0.00451 0.42098 2.1978
59 4EIP K2C 0.002785 0.41851 2.1978
60 4EIP FAD 0.002785 0.41851 2.1978
61 5MBX FAD 0.004226 0.4171 2.1978
62 5MBX SP5 0.004226 0.4171 2.1978
63 5DN9 NAD 0.001655 0.41327 2.1978
64 4MO2 FDA 0.002962 0.40847 2.1978
65 1P31 EPU 0.01087 0.40834 2.1978
66 5TUK FAD 0.003631 0.40541 2.1978
67 4DMG SAM 0.02999 0.40049 2.1978
68 3O8M GLC 0.03564 0.40017 2.1978
69 3O8M BGC 0.03564 0.40017 2.1978
70 3A4V NAD 0.000001337 0.49671 2.2082
71 3A4V PYR 0.000001337 0.49671 2.2082
72 3AY6 NAI 0.000001882 0.48659 2.23048
73 3AY6 BGC 0.000007493 0.42194 2.23048
74 1ZGA SAH 0.002446 0.45005 2.2409
75 3KO8 NAD 0.000001058 0.52278 2.24359
76 1VL8 NAP 0.0000006131 0.52593 2.24719
77 2UYQ SAM 0.004222 0.45516 2.25806
78 1YB5 NAP 0.001087 0.40597 2.2792
79 2R0D 4IP 0.02708 0.41013 2.30548
80 2B4R AES 0.00008891 0.46127 2.31884
81 2B4R NAD 0.0001113 0.45424 2.31884
82 1NVM NAD 0.0003356 0.4364 2.31884
83 3OID NDP 0.0000003504 0.53384 2.32558
84 3B20 NAD 0.0004573 0.45084 2.35988
85 2DT5 NAD 0.001186 0.42153 2.36967
86 4BVA T3 0.003216 0.4082 2.38806
87 9LDB NAD 0.001607 0.41109 2.40964
88 9LDT NAD 0.00189 0.40848 2.40964
89 1CER NAD 0.00007976 0.47407 2.41692
90 1WP4 NDP 0.001775 0.41758 2.42215
91 5GZ6 NDP 0.003177 0.4256 2.45399
92 5GZ6 7C3 0.004608 0.41237 2.45399
93 5MSO NAP 0.000003563 0.49292 2.47253
94 1U1I NAD 0.00005179 0.45185 2.47253
95 1UWK NAD 0.0008638 0.43758 2.47253
96 2C5A GDC 0.00000174 0.42872 2.47253
97 2C5A NAD 0.00000174 0.42872 2.47253
98 2VHW NAI 0.001373 0.42006 2.47253
99 2JJQ SAH 0.01061 0.41917 2.47253
100 3IHG FAD 0.001482 0.4178 2.47253
101 4TXI FAD 0.001204 0.41714 2.47253
102 5M67 ADE 0.00334 0.41714 2.47253
103 5M67 NAD 0.003439 0.41663 2.47253
104 5M67 3D1 0.003613 0.41578 2.47253
105 2BRY FAD 0.00154 0.41445 2.47253
106 1P0F NAP 0.001113 0.41254 2.47253
107 2YVF FAD 0.008207 0.40899 2.47253
108 2YVF NAD 0.00852 0.40899 2.47253
109 2J5V PCA 0.03386 0.40654 2.47253
110 3X0D SAH 0.01335 0.40123 2.47253
111 2BKA NDP 0.000004232 0.51562 2.47934
112 1LTH NAD 0.001518 0.42935 2.50784
113 4CJX NAP 0.006436 0.40077 2.50784
114 2X6T NAP 0.0000675 0.46579 2.52101
115 4WOV 3SM 0.006474 0.43365 2.52366
116 1JW0 GUA 0.02359 0.41743 2.53165
117 4O1M NAD 0.0000005213 0.54565 2.53968
118 2DC1 NAD 0.0008202 0.4307 2.54237
119 1TZD ADP 0.0329 0.40674 2.54545
120 1KYQ NAD 0.0001932 0.49272 2.55474
121 3CBG SAH 0.005521 0.42528 2.58621
122 3H9E NAD 0.00003699 0.48734 2.60116
123 3JV7 NAD 0.001854 0.41138 2.6087
124 2P41 SAH 0.005427 0.42207 2.62295
125 1H5Q NAP 0.000000427 0.54409 2.64151
126 1N2X SAM 0.004396 0.41323 2.65781
127 1UDB NAD 0.00001864 0.41099 2.66272
128 4GKV NAD 0.000714 0.4113 2.67857
129 1GEE NAD 0.000000728 0.54016 2.68199
130 2WYV NAD 0.000005917 0.50576 2.68199
131 1D7O NAD 0.000003402 0.47579 2.6936
132 1HDG NAD 0.00008928 0.47603 2.71084
133 4IDC NDP 0.001575 0.41408 2.71084
134 4IDC 1XX 0.001575 0.41408 2.71084
135 5EOW FAD 0.002358 0.40874 2.71605
136 1D4O NAP 0.001184 0.42747 2.71739
137 4OBW SAM 0.007567 0.4155 2.72374
138 1E5Q NDP 0.00000539 0.51158 2.74725
139 3G89 SAM 0.001065 0.46751 2.74725
140 3CIF G3H 0.0001208 0.45882 2.74725
141 3CIF NAD 0.00006746 0.45493 2.74725
142 1E1M FAD 0.0008277 0.44474 2.74725
143 4DCM SAM 0.003643 0.43755 2.74725
144 1MUU NAD 0.0008112 0.43723 2.74725
145 1MV8 NAD 0.0006991 0.43657 2.74725
146 3CV2 OXL 0.02327 0.42409 2.74725
147 3OND ADN 0.003066 0.41774 2.74725
148 5JJR SAH 0.009335 0.41135 2.74725
149 4REP FAD 0.003743 0.40672 2.74725
150 5KOK S9T 0.004003 0.40005 2.74725
151 4ZA2 NAD 0.000001057 0.52194 2.7668
152 1J5P NAD 0.0005915 0.43625 2.7668
153 1BW9 NAD 0.001061 0.4427 2.80899
154 1C1X NAD 0.002378 0.41541 2.8169
155 1A5Z NAD 0.00149 0.43639 2.82132
156 3GFB NAD 0.000966 0.42792 2.85714
157 3VC1 SAH 0.008351 0.40149 2.88462
158 1EQ2 NAP 0.00006849 0.46555 2.90323
159 3EVG SAH 0.003447 0.43102 2.90909
160 1CEN BGC BGC 0.01852 0.42574 2.91545
161 3A4T SFG 0.004017 0.41795 2.91971
162 1AE1 NAP 0.000000003951 0.62434 2.9304
163 1RM4 NDP 0.000958 0.40953 2.96736
164 2YX1 SFG 0.001487 0.46049 2.97619
165 5JE8 NAD 0.001286 0.42912 2.98013
166 5ULP KB1 0.002674 0.41921 2.98507
167 3CMC NAD 0.0009517 0.45082 2.99401
168 1DSS NAD 0.00004006 0.49011 3.003
169 1J0X NAD 0.0002626 0.45575 3.01205
170 4Q9N NAI 0.0000003859 0.54572 3.02013
171 4J1Q NDP 0.000001556 0.51157 3.02198
172 3LU1 NAD 0.000008534 0.49975 3.02198
173 1X87 NAD 0.00112 0.43818 3.02198
174 2IXB NAD 0.0004475 0.43175 3.02198
175 2EG5 SAH 0.005915 0.43148 3.02198
176 1PN0 IPH 0.002275 0.42376 3.02198
177 1PN0 FAD 0.002161 0.42376 3.02198
178 4TM3 FAD 0.006651 0.41723 3.02198
179 1GQ2 NAP 0.001866 0.41395 3.02198
180 2GCG NDP 0.001853 0.41408 3.0303
181 1V35 NAI 0.000007913 0.44938 3.03951
182 2CVQ NDP 0.0006343 0.43198 3.0581
183 1VM6 NAD 0.0003655 0.41635 3.07018
184 4A6D SAM 0.007465 0.41251 3.11615
185 1GEG NAD 0.000002158 0.52232 3.125
186 5L4S NAP 0.00005907 0.47341 3.14465
187 5L4S 6KX 0.00005907 0.47341 3.14465
188 1XTP SAI 0.009333 0.41135 3.14961
189 1TDF NAP 0.001937 0.44073 3.16456
190 1TDF FAD 0.001617 0.42782 3.16456
191 1LDN NAD 0.002577 0.40346 3.16456
192 2YY7 NAD 0.0000003234 0.54858 3.20513
193 3DXY SAM 0.01532 0.41507 3.21101
194 1I9G SAM 0.001968 0.43468 3.21429
195 3WXB NDP 0.000002672 0.51447 3.22581
196 1C3V NDP 0.001591 0.41126 3.26531
197 2Q1S NAI 0.00000428 0.52552 3.2967
198 1H9A NAP 0.00001004 0.49814 3.2967
199 3ABI NAD 0.00008871 0.4613 3.2967
200 1ZMD NAI 0.0005564 0.44386 3.2967
201 3UBM COA 0.001488 0.433 3.2967
202 5JCA FAD 0.001325 0.42729 3.2967
203 5JCA NDP 0.003115 0.42687 3.2967
204 2CDC NAP 0.003922 0.42481 3.2967
205 2RGO FAD 0.001114 0.42469 3.2967
206 4R5M NAP 0.002734 0.40758 3.2967
207 4AZW SAM 0.01136 0.40436 3.2967
208 1JAY NAP 0.001888 0.43199 3.30189
209 3A27 SAM 0.009558 0.41088 3.30882
210 1V6A TRE 0.008398 0.44276 3.31325
211 2B5W NAP 0.0002353 0.42264 3.36134
212 1XSE NDP 0.0000001415 0.5062 3.38983
213 2W58 ADP 0.03095 0.40691 3.46535
214 1Y8Q ATP 0.001225 0.43319 3.46821
215 4J7U YTZ 0.000001144 0.54646 3.47222
216 4J7U NAP 0.000001144 0.54646 3.47222
217 1OAA OAA 0.000001115 0.46661 3.4749
218 1G8S MET 0.01676 0.42313 3.47826
219 1LUA NAP 0.005733 0.4144 3.48432
220 3OJF IMJ 0.000004332 0.52259 3.50195
221 3OJF NDP 0.000003019 0.51951 3.50195
222 3GU3 SAH 0.007495 0.43475 3.52113
223 2Q0L NAP 0.00212 0.44868 3.53698
224 4M73 SAH 0.002889 0.40775 3.56083
225 3MJE NDP 0.00000105 0.52577 3.57143
226 1GET NAP 0.001473 0.44436 3.57143
227 1SQF SAM 0.001827 0.44354 3.57143
228 2WPF FAD 0.003555 0.44006 3.57143
229 1O0S NAI 0.001396 0.43416 3.57143
230 1GET FAD 0.002471 0.43374 3.57143
231 1BZL FAD 0.005174 0.43351 3.57143
232 1FEC FAD 0.001237 0.4324 3.57143
233 2WPF WPF 0.007013 0.42871 3.57143
234 4CNK FAD 0.001016 0.42739 3.57143
235 1XA4 COA 0.002308 0.42499 3.57143
236 1KYZ SAH 0.01062 0.4088 3.57143
237 4MRP GSH 0.04151 0.40617 3.57143
238 4AZT SAM 0.01229 0.4059 3.57143
239 4MDH NAD 0.0007683 0.43181 3.59281
240 2Q1W NAD 0.000004376 0.5005 3.6036
241 5MDH NAD 0.0006942 0.43353 3.6036
242 3QWI CUE 0.000000582 0.55638 3.7037
243 3QWI NAP 0.0000004369 0.5457 3.7037
244 1F3L SAH 0.007133 0.40726 3.73832
245 4YMH SAH 0.01048 0.40293 3.75
246 1GZ6 NAI 0.0001027 0.45553 3.76176
247 3B1F NAD 0.0001076 0.48521 3.7931
248 1Y1P NMN AMP PO4 0.000004292 0.5396 3.80117
249 4UP3 FAD 0.005692 0.4007 3.82166
250 1E3W NAD 0.0000002504 0.55769 3.83142
251 1U7T NAD 0.000002512 0.52898 3.83142
252 1U7T TDT 0.000001585 0.47025 3.83142
253 1KPG SAH 0.009008 0.4029 3.83275
254 3CH6 NAP 0.0000002677 0.59283 3.84615
255 1E6W NAD 0.0000008532 0.53756 3.84615
256 2BH9 NAP 0.0001841 0.49888 3.84615
257 4PIV NDP 0.00000855 0.49568 3.84615
258 2IZ1 ATR 0.01237 0.43274 3.84615
259 5U8U FAD 0.003363 0.42756 3.84615
260 3CH6 311 0.0000002677 0.42473 3.84615
261 1G60 SAM 0.01397 0.40035 3.84615
262 1CF2 NAP 0.0001434 0.43577 3.85757
263 2C29 NAP 0.00001588 0.43079 3.85757
264 2C29 DQH 0.00001697 0.4289 3.85757
265 1L5Y BEF 0.009155 0.42508 3.87097
266 1HDO NAP 0.0000007772 0.51414 3.8835
267 1Z6Z NAP 0.0000003754 0.54179 3.90071
268 3ICC NAP 0.0000001973 0.54954 3.92157
269 1XKQ NDP 0.00000007584 0.55739 3.92857
270 3WBF NAP 0.001968 0.41307 3.93443
271 2F1K NAP 0.0001473 0.46347 3.94265
272 1BXK NAD 0.000000165 0.56978 3.94366
273 1R18 SAH 0.007723 0.40577 3.96476
274 1YKF NAP 0.003651 0.40024 3.97727
275 2PD4 DCN 0.000002664 0.49197 4
276 2PD4 NAD 0.000003326 0.48881 4
277 3G2O SAM 0.0006972 0.46252 4.01338
278 5O4J SAH 0.002434 0.40821 4.0146
279 5O4J 9KH 0.002434 0.40821 4.0146
280 5O4J PJL 0.002293 0.40795 4.0146
281 3FIU POP 0.01668 0.42575 4.01606
282 4W6Z 8ID 0.0006162 0.43329 4.03458
283 5UAV NDP 0.0001517 0.45645 4.03727
284 5UAV TFB 0.0001517 0.45645 4.03727
285 3OA2 NAD 0.0004287 0.43852 4.08805
286 1BC5 SAH 0.003739 0.41618 4.08922
287 3EF0 ALF 0.003695 0.46324 4.12088
288 5KMS FAD 0.0004677 0.43785 4.12088
289 4KP7 NAP 0.001109 0.43523 4.12088
290 4KP7 1UQ 0.0009252 0.4344 4.12088
291 1F8F NAD 0.001304 0.42887 4.12088
292 3WQQ IB3 0.001232 0.42748 4.12088
293 3NJ4 NAD 0.01082 0.42618 4.12088
294 1SC6 NAD 0.0009487 0.41518 4.12088
295 3NJ4 AFX 0.02109 0.41334 4.12088
296 5KMS NAD 0.006138 0.41275 4.12088
297 3G5S FAD 0.0003582 0.41009 4.12088
298 3H4V DVP 0.0000105 0.50902 4.16667
299 3H4V NAP 0.00001896 0.49775 4.16667
300 1L1E SAH 0.007406 0.40954 4.18118
301 2A14 SAH 0.006233 0.40977 4.18251
302 3RKR NAP 0.000002563 0.6102 4.19847
303 2ZAT NAP 0.0000003164 0.55384 4.23077
304 1NFQ NAI 0.000001175 0.52965 4.23077
305 2I3G NAP 0.0002051 0.44436 4.26136
306 5HJM MTA 0.01035 0.40617 4.26136
307 3AFN NAP 0.0000008584 0.53661 4.26357
308 2DKN NAI 0.000001123 0.53776 4.31373
309 3RJ5 NAD 0.00001161 0.45841 4.33071
310 2RH4 EMO 0.00000007725 0.48871 4.33213
311 4K26 NDP 0.0000000423 0.58143 4.34783
312 4K26 SFF 0.00000005338 0.52365 4.34783
313 3ORF NAD 0.000007781 0.50546 4.38247
314 1ZK4 NAP 0.000006553 0.47435 4.38247
315 1GY8 NAD 0.000001477 0.52405 4.3956
316 1WDK NAD 0.0001606 0.47359 4.3956
317 5JCM FAD 0.00139 0.44264 4.3956
318 5JCM ISD 0.001446 0.44264 4.3956
319 5JCM NAD 0.001446 0.44264 4.3956
320 1GR0 NAD 0.0002488 0.42778 4.3956
321 5FJN BE2 0.001586 0.42721 4.3956
322 5FJN FAD 0.001332 0.42721 4.3956
323 2JHF NAD 0.01501 0.42407 4.3956
324 2GZ3 NAP 0.0005225 0.41637 4.3956
325 4OPC FDA 0.01688 0.41173 4.3956
326 1EZ4 NAD 0.001671 0.4215 4.40252
327 2FK8 SAM 0.005218 0.41619 4.40252
328 2VDV SAM 0.0004472 0.48572 4.47154
329 1RKX NAD 0.000003639 0.50948 4.48179
330 1RP0 AHZ 0.002545 0.40497 4.57746
331 3HB5 NAP 0.000001415 0.44212 4.58716
332 3ZV6 NAD 0.000007956 0.44981 4.62633
333 3ZV6 4HB 0.000008614 0.44497 4.62633
334 1Q0S SAH 0.006904 0.4022 4.6332
335 4TQG NDP 0.00000006423 0.58554 4.64396
336 3A1S GDP 0.02052 0.40874 4.65116
337 4D42 NAP 0.000003641 0.53581 4.67033
338 4D42 W0I 0.000003641 0.53581 4.67033
339 2FR1 NDP 0.000001465 0.51785 4.67033
340 4AT0 FAD 0.001134 0.43483 4.67033
341 4YCA NDP 0.001725 0.42096 4.67033
342 1U8X NAD 0.004635 0.40386 4.67033
343 3LKZ SFG 0.01015 0.40655 4.6729
344 1JG3 ADN 0.00163 0.44579 4.68085
345 5ITV NAI 0.0000001994 0.55639 4.70588
346 1SAY PYR 0.0009411 0.40678 4.70914
347 1WVG APR 0.0001175 0.4712 4.73538
348 4JCA CIT 0.03434 0.41732 4.79042
349 1A27 NAP 0.00000326 0.51555 4.84429
350 1HYH NAD 0.002031 0.40731 4.85437
351 3NUG NAD 0.000001864 0.52028 4.8583
352 3I6I NDP 0.00008632 0.42555 4.91329
353 1PR9 NAP 0.0000001024 0.57127 4.91803
354 3D3W NAP 0.0000001418 0.56596 4.91803
355 2XYQ SAH 0.006782 0.41767 4.91803
356 1QAN SAH 0.006491 0.40901 4.91803
357 3DUW SAH 0.01396 0.40037 4.93274
358 1ORR NAD 0.000001873 0.50798 4.94506
359 4NEC SAH 0.002459 0.44564 4.94506
360 2DKH FAD 0.0005177 0.43222 4.94506
361 4MIG G3F 0.002212 0.42424 4.94506
362 2DKH 3HB 0.001772 0.41923 4.94506
363 1H6C NDP 0.002635 0.41041 4.94506
364 1H6C SIN 0.003987 0.40566 4.94506
365 3GDH SAH 0.006998 0.40196 4.97925
366 1EJ0 SAM 0.0006075 0.46523 5
367 1PNO NAP 0.002544 0.40088 5
368 4ONQ SFG 0.009233 0.41157 5.04202
369 4GLL NAD 0.00002146 0.48249 5.04451
370 3WV8 ATP 0.0001276 0.4142 5.04587
371 2B4Q NAP 0.00000005656 0.58211 5.07246
372 5MPT SAH 0.001182 0.45212 5.07246
373 1Z82 G3P 0.0423 0.40372 5.07463
374 1Z82 G3H 0.04413 0.40273 5.07463
375 5FTW SAH 0.001476 0.44012 5.07812
376 3EWP APR 0.005592 0.40598 5.08475
377 3OFK SAH 0.01243 0.4089 5.09259
378 1DXY NAD 0.001161 0.40372 5.1051
379 2BZG SAH 0.0151 0.40183 5.17241
380 1VKO NAD 0.0002385 0.43732 5.21415
381 4OOE NDP 0.0005435 0.44092 5.21978
382 3SSO SAH 0.001669 0.4378 5.21978
383 4KRI SAH 0.002451 0.43052 5.21978
384 4C4A SAH 0.007363 0.41277 5.21978
385 5L53 NAP 0.00006957 0.43573 5.24691
386 3OIG NAD 0.000007613 0.51016 5.26316
387 1ZQ9 SAM 0.001718 0.44475 5.26316
388 4IF4 BEF 0.007759 0.44107 5.28846
389 1W73 NAP 0.00000002153 0.62915 5.29801
390 1W8D NAP 0.00000003979 0.61816 5.29801
391 1W6U NAP 0.00000007065 0.60789 5.29801
392 2DTX BMA 0.0000001131 0.51447 5.30303
393 1Q7B NAP 0.0000004349 0.54862 5.32787
394 1ZEM NAD 0.000000127 0.58536 5.34351
395 1XHL NDP 0.0000001724 0.56079 5.38721
396 3KB6 NAD 0.001338 0.42238 5.38922
397 3BXO SAM 0.007946 0.42526 5.43933
398 5F8F SFG 0.0006498 0.47298 5.49451
399 3OJO NAD 0.0004685 0.45407 5.49451
400 5UAO FAD 0.0002183 0.453 5.49451
401 3SQP FAD 0.005685 0.44972 5.49451
402 5CAE COA 0.0005807 0.44656 5.49451
403 1CDO NAD 0.000764 0.43503 5.49451
404 4N49 SAM 0.01215 0.40013 5.49451
405 5MGZ SAH 0.008032 0.41109 5.50847
406 1VI2 NAD 0.003438 0.42084 5.66667
407 2DBZ NAP 0.0009238 0.41412 5.68862
408 4CQM NAP 0.000000912 0.53646 5.7377
409 1QG6 TCL 0.00001489 0.5044 5.74713
410 1QG6 NAD 0.00001489 0.43434 5.74713
411 3V1U NAD 0.000002193 0.54118 5.76923
412 1DJN ADP 0.0005782 0.45023 5.76923
413 1O94 ADP 0.0005486 0.44758 5.76923
414 2GVC FAD 0.0006878 0.42759 5.76923
415 1VQW FAD 0.0007714 0.41457 5.76923
416 2GV8 FAD 0.0007157 0.41169 5.76923
417 4XQC NAD 0.0001238 0.40537 5.76923
418 4XQC 13D 0.0001226 0.40131 5.76923
419 2EJU SAH 0.01622 0.40041 5.76923
420 4J4H NAI 0.02715 0.4172 5.79151
421 4J4H 1J1 0.003369 0.41524 5.79151
422 4JK3 NAD 0.0007658 0.40958 5.79151
423 3EGI ADP 0.006555 0.44721 5.82524
424 2IL4 COA 0.01989 0.40254 5.82524
425 1LLU NAD 0.0003685 0.42071 5.84795
426 3JQA NAP 0.000005979 0.51426 5.90278
427 3JQ7 NAP 0.000006102 0.51391 5.90278
428 3JQB NAP 0.000006611 0.51256 5.90278
429 3JQG NAP 0.00000759 0.51021 5.90278
430 3BMQ NAP 0.000004988 0.50856 5.90278
431 3BMO NAP 0.000006517 0.50841 5.90278
432 4CM8 NAP 0.000006967 0.5073 5.90278
433 4CM4 NAP 0.000007272 0.50658 5.90278
434 3BMN NAP 0.000006659 0.50382 5.90278
435 4CMI NAP 0.00000957 0.502 5.90278
436 3JQF NAP 0.000007929 0.50095 5.90278
437 3JQ8 NAP 0.000009385 0.49819 5.90278
438 3JQ9 NAP 0.000009481 0.49802 5.90278
439 4CM9 NAP 0.000006331 0.49691 5.90278
440 4CLO NAP 0.000003816 0.49681 5.90278
441 4CME NAP 0.000005708 0.49503 5.90278
442 4CLR NAP 0.00000767 0.4904 5.90278
443 3FUU ADN 0.003449 0.42745 5.90406
444 3C3Y SAH 0.01226 0.40288 5.90717
445 4QTU SAM 0.0007941 0.45582 5.92593
446 2Q46 NAP 0.000000151 0.57126 5.92885
447 1JNR FAD 0.002701 0.43655 6
448 1J49 NAD 0.002533 0.40885 6.00601
449 1MO9 FAD 0.00462 0.42905 6.04396
450 1MO9 KPC 0.006819 0.42245 6.04396
451 3GGO ENO 0.001398 0.42534 6.05096
452 3AD8 NAD 0.0005145 0.43368 6.06061
453 3AD8 FAD 0.002966 0.43047 6.06061
454 3AD8 PYC 0.002966 0.43047 6.06061
455 5GM1 SAH 0.003393 0.41796 6.06061
456 3QV1 NAD 0.000148 0.43167 6.09756
457 1FHX 4IP 0.03017 0.41167 6.20155
458 1E7S NAP 0.0000003781 0.54804 6.23053
459 1J6X MET 0.03891 0.40663 6.25
460 3S5W NAP 0.006478 0.42571 6.2635
461 3S5W FAD 0.001313 0.41437 6.2635
462 1RJD SAM 0.0003955 0.46506 6.28743
463 4N9Z V3L 0.00009779 0.55608 6.31868
464 1RYI FAD 0.002559 0.41516 6.31868
465 2WD7 NAP 0.000008323 0.50433 6.34328
466 2VZ0 NAP 0.00009838 0.49809 6.34328
467 2VZ0 D64 0.00009838 0.49809 6.34328
468 4M37 SAH 0.01145 0.40422 6.41399
469 1P1C SAH 0.003371 0.41807 6.53266
470 3BGD SAH 0.01342 0.40113 6.53846
471 5IN4 NAP 0.0001818 0.51754 6.59341
472 5IN4 6CK 0.0001803 0.51734 6.59341
473 5IN4 GDP 0.0001817 0.51645 6.59341
474 1KOL NAD 0.0004841 0.40894 6.59341
475 4L80 OXL 0.02964 0.41302 6.6092
476 2G5C NAD 0.0007836 0.42553 6.76157
477 4EUE NAI 0.000001601 0.51635 6.86813
478 4DPL NAP 0.000172 0.45043 6.96379
479 5KKA 6V0 0.001579 0.41272 7.05128
480 1LSS NAD 0.00003915 0.50884 7.14286
481 5EB4 FAD 0.0002247 0.45495 7.14286
482 5H81 NAP 0.001843 0.43243 7.14286
483 1F8G NAD 0.00522 0.41307 7.14286
484 1PS9 FAD 0.004254 0.40659 7.14286
485 1EK6 NAI 0.00002392 0.40256 7.18391
486 2NU8 COA 0.0007408 0.43557 7.29167
487 2OOR TXP 0.001725 0.41806 7.41758
488 2OOR NAD 0.006407 0.40926 7.41758
489 1NM5 NAD 0.007435 0.4057 7.41758
490 1NM5 NAP 0.007318 0.4052 7.41758
491 1L7E NAI 0.007489 0.40349 7.41758
492 5CDH TLA 0.01895 0.40302 7.44048
493 3R51 MMA 0.01997 0.43797 7.5
494 2Y6Q FAD 0.0007207 0.4198 7.69231
495 3A25 SAM 0.0119 0.40655 7.69231
496 2F5Z FAD 0.0007278 0.43847 7.8125
497 4CVN ADP 0.04858 0.40045 7.8534
498 3H8V ATP 0.00001125 0.54378 7.87671
499 5X62 SAH 0.009329 0.41469 7.96703
500 2AE2 PTO 0.000000007597 0.62762 8.07692
501 2AE2 NAP 0.000000007597 0.62762 8.07692
502 1HKU NAD 0.001767 0.40956 8.10056
503 5EZ7 FAD 0.002587 0.4129 8.24176
504 5L95 AMP 0.00001964 0.43834 8.24373
505 1N4W FAD 0.004537 0.40742 8.33333
506 1L3I SAH 0.004521 0.40429 8.33333
507 2O4C NAD 0.002183 0.40614 8.51648
508 5E7G XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.02509 0.40474 8.51648
509 3O03 NAP 0.000003233 0.52944 8.59107
510 3MB5 SAM 0.0009008 0.44215 8.62745
511 2VYN NAD 0.0004721 0.43691 8.68263
512 3KLJ FAD 0.001372 0.40617 9.06593
513 5E8J SAH 0.0002957 0.49441 9.09091
514 4BQS ADP 0.02251 0.41853 9.09091
515 4RJD TFP 0.04422 0.40358 9.09091
516 5DOZ NDP 0.002721 0.40507 9.1716
517 1P77 ATR 0.001441 0.48225 9.19118
518 2CFC NAD 0.000003262 0.51997 9.2
519 5JAQ NAI 0.000006044 0.51417 9.34066
520 4J36 1HR 0.0004425 0.44691 9.34066
521 4J36 FAD 0.0002512 0.44402 9.34066
522 1I2B UPG 0.02618 0.41055 9.34066
523 1I2B USQ 0.02618 0.41055 9.34066
524 1I2B NAD 0.00001852 0.40104 9.34066
525 1YP1 LYS ASN LEU 0.0444 0.40258 9.40594
526 1IM8 SAI 0.004283 0.41994 9.42623
527 5XVQ SAH 0.003303 0.41845 9.50704
528 1RPN NDP 0.00001156 0.46605 9.55224
529 1YXM ADE 0.00001273 0.60505 9.57096
530 4NBT NAD 0.0000005388 0.55003 9.58333
531 1G55 SAH 0.00311 0.42945 9.62099
532 3O26 NDP 0.000004628 0.50196 9.6463
533 1SB8 UD2 0.00001547 0.513 9.65909
534 1SB8 NAD 0.00002517 0.50021 9.65909
535 3VZS NAP 0.000003641 0.44597 9.72763
536 2YVJ NAI 0.0008755 0.45803 10.0917
537 5N53 8NB 0.01098 0.43649 10.2564
538 3L4S NAD 0.0001399 0.44568 10.4167
539 3L4S 3PG 0.0001532 0.43959 10.4167
540 4II2 ATP 0.0003337 0.46828 10.4396
541 4YNU FAD 0.0009362 0.43521 10.4396
542 4YNU LGC 0.001202 0.43475 10.4396
543 5JWC FAD 0.0004126 0.41657 10.4396
544 2WSB NAD 0.000001032 0.54525 10.6299
545 1X1T NAD 0.0000008332 0.52043 10.7692
546 4PVD NDP 0.000001695 0.50338 10.8187
547 2FKA BEF 0.0204 0.40242 10.8527
548 1HYE NAP 0.0005542 0.451 10.8626
549 3QX9 ATP 0.04399 0.40382 10.8696
550 3FGZ BEF 0.01054 0.42354 10.9375
551 1E6E FAD 0.0003116 0.41597 10.9375
552 4RSL FAD 0.0001995 0.45192 11.236
553 1DRV A3D 0.001882 0.43205 11.3553
554 2YYY NAP 0.0005769 0.43356 11.3703
555 2GDZ NAD 0.000000279 0.54659 11.6105
556 2HMT NAI 0.0001333 0.48122 11.8056
557 2ZWA SAH 0.0003929 0.46115 11.8132
558 3RFV NAI 0.00003553 0.484 11.985
559 3RFV 15L 0.0001502 0.46313 11.985
560 3GDN FAD 0.0002035 0.45895 12.0879
561 3GDN HBX 0.000341 0.45836 12.0879
562 2EXX NAP 0.0002955 0.42453 12.0915
563 2CDU ADP 0.00005976 0.41119 12.3626
564 2PZM NAD 0.00001174 0.50842 12.4242
565 2PZM UDP 0.00001174 0.50842 12.4242
566 1N5D NDP 0.00001826 0.48343 12.5
567 4QED NAP 0.000002308 0.51314 12.9032
568 1O6Z NAD 0.00121 0.43342 13.2013
569 2BOS GLA GAL GLC 0.02644 0.41162 13.2353
570 2BOS GLA GAL GLC NBU 0.031 0.40905 13.2353
571 4YSX FAD 0.0007989 0.43367 13.2979
572 1FK8 NAD 0.0000009479 0.55593 14.0078
573 4ZRN NAD 0.000001384 0.50728 14.1026
574 4ZRN UPG 0.000005738 0.43001 14.1026
575 4RQU NAD 0.001184 0.42156 14.8352
576 1O5I NAD 0.00007878 0.50042 16.0643
577 1G0N PHH 0.0000008639 0.54973 16.2544
578 1G0N NDP 0.000001397 0.53709 16.2544
579 1YS4 NAP 0.0001127 0.48434 16.3842
580 2Q2V NAD 0.0000004756 0.54623 16.4706
581 2BD0 NAP 0.00000007826 0.56389 17.2131
582 5CG1 NAD BBN 0.00005388 0.49881 17.377
583 1VE3 SAM 0.01051 0.40901 18.0617
584 3ZNN FAD 0.0008668 0.44644 18.732
585 1KEW NAD 0.00000938 0.52059 19.3906
586 1KEW TYD 0.0000241 0.50317 19.3906
587 3SJ7 NDP 0.000001419 0.53387 19.8413
588 1R6D DAU 0.00001589 0.51253 22.8487
589 1R6D NAD 0.00001781 0.5116 22.8487
590 2VUT NAD 0.003663 0.4229 23.2558
591 3IWD M2T 0.02882 0.41043 26.4706
592 3B1J NAD 0.0004372 0.43511 28
593 4GQB 0XU 0.003846 0.4127 31.8182
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